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Information card for entry 4350757
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Coordinates | 4350757.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H34 O2 P2 Pd |
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Calculated formula | C19 H34 O2 P2 Pd |
SMILES | [Pd]12([P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)C |
Title of publication | Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes |
Authors of publication | Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong |
Journal of publication | Inorg. Chem. Front. |
Year of publication | 2014 |
Journal volume | 1 |
Journal issue | 1 |
Pages of publication | 71 |
a | 8.0315 ± 0.0002 Å |
b | 10.3766 ± 0.0002 Å |
c | 14.2789 ± 0.0003 Å |
α | 100.667 ± 0.001° |
β | 103.372 ± 0.001° |
γ | 101.595 ± 0.001° |
Cell volume | 1100.12 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0347 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0803 |
Weighted residual factors for all reflections included in the refinement | 0.0827 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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